Name: Spongipregnoloside A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212525016
Cas No:552297-97-9
常用名:Spongipregnoloside A
IUPAC:1-[(7S,9aR,11aS)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-one
IUPAC:1-[(7S,9aR,11aS)-7-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethan-1-one
InChI key:BXARCUHDNQOUJG-GTVKIRBPSA-N

分子式:C33H50O11
分子量:622.752
氢键供体数 (HBD):6
氢键受体数 (HBA):11
LogP:0.937
SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@]3(C)C4CC[C@@]5(C)C(CC=C5C(C)=O)C4CC=C3C2)[C@H](O)[C@H](O)[C@H]1O |c:29,38|
SMILES:C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@]3(C)C4CC[C@@]5(C)C(CC=C5C(C)=O)C4CC=C3C2)[C@H](O)[C@H](O)[C@H]1O |c:29,38|

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